Honey-like Odor Meets Single-Ion Magnet: Synthesis, Crystal Structure, and Magnetism of Cobalt(II) Complex with Aromatic Trans-Cinnamic Acid

The hexacoordinate Co(II) complex [Co(neo)2(cin)][BPh4]·½Me2CO (1·½Me2CO) containing trans-cinnamic acid (Hcin) and neocuproine (neo) was prepared. The compound 1·½Me2CO was characterized via single-crystal X-ray analysis, FT-IR spectroscopy, and magnetic measurements. The coordination polyhedron of the complex cation adopts a deformed octahedron shape, and cinnamate exhibits a bidentate mode of coordination, which is unusual for mononuclear Co(II) cinnamate complexes. The analysis of DC magnetic measurements with zero-field splitting (ZFS) spin Hamiltonian revealed large magnetic anisotropy defined by the axial ZFS parameter D = +53.2 cm−1. AC susceptibility measurements revealed the slow relaxation of magnetization under the applied field; thus, 1·½Me2CO behaves as a field-induced single-molecule magnet. The analysis of magnetic properties was also supported by CASSCF/NEVPT2 calculations.